SCHEMBL28411499

SCHEMBL28411499

CC(=O)Nc1ccc(-c2ccccc2)c2cccnc12.c1cc2ccc1-2

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 9/20 0.65
▸ SKP2 Q13309 9/20 0.65
▸ GLO1 Q04760 5/20 0.61
▸ TOP2A P11388 5/20 0.55
▸ ATM Q13315 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Thiophene SCHEMBL28413445 0.90 CKS1B (0.61) CKS1BSKP2GLO1TOP2AATM
SCHEMBL28160383 0.83 CKS1B (0.60) CKS1BSKP2GLO1TOP2AKMT2A
SCHEMBL21869669 0.81 CKS1B (0.68) CKS1BSKP2GLO1TOP2A
SCHEMBL17506542 0.80 CKS1B (1.00) CKS1BSKP2GLO1
SCHEMBL28160390 0.80 CKS1B (0.55) CKS1BSKP2GLO1TOP2AMEN1
SCHEMBL28847330 0.78 CKS1B (0.56) CKS1BSKP2GLO1TOP2A
SCHEMBL28160394 0.77 SOAT1 (0.61) CKS1BSKP2GLO1
SCHEMBL21869715 0.76 CKS1B (0.64) CKS1BSKP2GLO1
SCHEMBL23360233 0.76 KMT2A (0.64) CKS1BSKP2ATMMEN1KMT2A
SCHEMBL29862447 0.76 KMT2A (0.64) CKS1BSKP2ATMMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106938984-B 5-substituted arylation/heterocycle 8-acylamino quinoline compound and one-pot preparation method thereof 湖南大学 2020-05-05 — — CN disclosed
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